HRID1141657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCN(CC)CC)cc1

HCID13493

Etonitazene

C22H28N4O3

HCID68284

Benzoyl isothiocyanate

C8H5NOS

PRODUCTS

生成物

结构：CCOc1ccc(Cc2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3n2CCN(CC)CC)cc1

HCID16037889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a09fbce1b704919b41f9192664c216b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)(=[O:37])[N:38]=[C:39]=[S:40].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:21][cH:22][c:23]([N+:25]([O-:26])=[O:27])[cH:24]3)[cH:28][cH:29]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:21][cH:22][c:23]([NH:25][C:39]([NH:38][C:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])=[S:40])[cH:24]3)[cH:28][cH:29]1